1-methyl-8-(phenylmethyl)-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-methyl-8-(phenylmethyl)-3,7-dihydropurine-2,6-dione Openeye Name: 8-benzyl-1-methyl-3,7-dihydropurine-2,6-dione CAS Name: 1-methyl-8-(phenylmethyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 8-benzyl-1-methyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-benzyl-1-methyl-7H-xanthine Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N=C(N2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N=C(N2)CC3=CC=CC=C3

InChI

InChI=1S/C13H12N4O2/c1-17-12(18)10-11(16-13(17)19)15-9(14-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,15)(H,16,19)